SCHEMBL4582549

SCHEMBL4582549

N[C@@H](CNC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.64
AKT2 P31751 4/20 0.51
AKT3 Q9Y243 4/20 0.51
CIT O14578 2/20 0.51
HPGDS O60760 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4582545 1.00 AKT1 (0.64) AKT1AKT2AKT3CITHPGDS
SCHEMBL4582661 0.87 AKT1 (0.71) AKT1AKT2AKT3HPGDS
SCHEMBL8233639 0.84 AKT1 (0.73) AKT1AKT2AKT3
SCHEMBL4584417 0.84 AKT1 (0.73) AKT1AKT2AKT3
SCHEMBL4583406 0.84 AKT1 (0.67) AKT1AKT2AKT3CIT
SCHEMBL4583678 0.84 AKT1 (0.78) AKT1AKT2AKT3
SCHEMBL4583674 0.84 AKT1 (0.78) AKT1AKT2AKT3
SCHEMBL4592540 0.80 AKT1 (0.67) AKT1AKT2AKT3
SCHEMBL12346430 0.78 AKT1 (0.61) AKT1AKT3CIT
SCHEMBL8242730 0.78 AKT1 (0.62) AKT1AKT2AKT3HPGDS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP claimed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed